SCHEMBL29468945

SCHEMBL29468945

Cc1ccc2cn[nH]c2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.34
NOS1 P29475 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPA1 O75762 2/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FGFR1 P11362 1/20 0.31
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21379213 1.00 MAPT (0.49) MAPTALDH1A1HTTIRAK4NOS1
SCHEMBL29479125 0.81 MAPT (0.34) MAPTHTTTRPA1
SCHEMBL24373906 0.81 MAPT (0.34) MAPTHTTTRPA1
SCHEMBL29479128 0.78 TRPA1 (0.33) MAPTALDH1A1HTTNOS1TRPA1
SCHEMBL27096244 0.78 TRPA1 (0.33) MAPTALDH1A1HTTNOS1TRPA1
SCHEMBL16637189 0.76 IDO1 (0.38) NOS1TRPA1
SCHEMBL27096469 0.75 NOS1 (0.34) NOS1TRPA1
SCHEMBL19785593 0.75 NOS1 (0.39) MAPTALDH1A1HTTNOS1LPL
SCHEMBL30476991 0.74 NOS1 (0.45) MAPTALDH1A1IRAK4NOS1CYP1A2
SCHEMBL15796934 0.74 NOS1 (0.45) MAPTALDH1A1IRAK4NOS1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
CN-110267957-B Quinazoline compounds 安斯泰来制药株式会社 2022-04-26 CN disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS MAPT 4138/4885ALDH1A1 3126/4885HTT 2076/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS MAPT 4138/4885ALDH1A1 3126/4885HTT 2076/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC MAPT 4629/4885ALDH1A1 1221/4885HTT 2143/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPT 3991/4885ALDH1A1 4307/4885HTT 2393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.